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Geometry for CH3CH2Cl (Ethyl chloride) 1A' CS

1910171554
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3 INChIKey=HRYZWHHZPQKTII-UHFFFAOYSA-N

HF/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5050 0.6622 0.0000   -1.5970 0.3913 0.0000
C2 0.0000 0.8128 0.0000   -0.4950 -0.6447 0.0000
H3 1.9635 1.6458 0.0000   -2.5597 -0.1096 0.0000
H4 1.8412 0.1272 0.8780   -1.5378 1.0204 0.8780
H5 1.8412 0.1272 -0.8780   -1.5378 1.0204 -0.8780
Cl6 -0.8218 -0.7887 0.0000   1.1321 0.1251 0.0000
H7 -0.3526 1.3286 0.8777   -0.5295 -1.2685 0.8777
H8 -0.3526 1.3286 -0.8777   -0.5295 -1.2685 -0.8777
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5125 1.0852 1.0818 1.0818 2.7421 2.1599 2.1599
C2 1.5125 2.1329 2.1519 2.1519 1.8000 1.0774 1.0774
H3 1.0852 2.1329 1.7585 1.7585 3.6993 2.4970 2.4970
H4 1.0818 2.1519 1.7585 1.7561 2.9498 2.5012 3.0559
H5 1.0818 2.1519 1.7585 1.7561 2.9498 3.0559 2.5012
Cl6 2.7421 1.8000 3.6993 2.9498 2.9498 2.3395 2.3395
H7 2.1599 1.0774 2.4970 2.5012 3.0559 2.3395 1.7554
H8 2.1599 1.0774 2.4970 3.0559 2.5012 2.3395 1.7554
Maximum atom distance is 3.6993Å between atoms H3 and Cl6.
picture of Ethyl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 111.453
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.919 C1 C2 H8 111.919
C2 C1 H3 109.278 C2 C1 H4 111.005
C2 C1 H5 111.005 H3 C1 H4 108.481
H3 C1 H5 108.481 H4 C1 H5 108.521
Cl6 C2 H7 106.054 Cl6 C2 H8 106.054
H7 C2 H8 109.107

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.